UCSF

ZINC32012091

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.95 1.21 -52.38 5 3 1 60 209.313 5
Hi High (pH 8-9.5) 0.95 0.83 -5.4 4 3 0 58 208.305 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )